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AURORAFEINCHEMIE-ZINC04026894

 MMsINC code: MMs00461940
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(C)c1c(OC)c2C=3C(=CC(=O)C(N4CCCC4)=CC=3)C(NC)CCc2cc1OC
InChI:   InChI=1/C24H30N2O4/c1-25-18-9-7-15-13-21(28-2)23(29-3)24(30-4)22(15)16-8-10-19(20(27)14-17(16)18)26-11-5-6-12-26/h8,10,13-14,18,25H,5-7,9,11-12H2,1-4H3/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=188.114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -4.19481  SlogP: 3.11877  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.131679  Sterimol/B1: 2.32965  Sterimol/B2: 2.36536  Sterimol/B3: 6.55159
  Sterimol/B4: 9.29446  Sterimol/L: 17.9665 
 
 Surface and Volume Properties
  Accessible surface: 669.992  Positive charged surface: 574.508  Negative charged surface: 95.4842  Volume: 403.5
  Hydrophobic surface: 603.525  Hydrophilic surface: 66.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00461941
AURORAFEINCHEMIE-ZINC04026894